Information card for entry 7213158

Structure parameters

• Formula: C24 H36 Cl2 N4 Ni O8
• Calculated formula: C24 H36 Cl2 N4 Ni O8
• Title of publication: cis-Diprotected cyclams and cyclens: a new route to symmetrically or asymmetrically 1,4-disubstituted tetraazamacrocycles and to asymmetrically tetrasubstituted derivatives
• Authors of publication: Bellouard, Frédéric; Chuburu, Françoise; Kervarec, Nelly; Toupet, Loïc; Triki, Smaïl; Le Mest, Yves; Handel, Henri
• Journal of publication: Journal of the Chemical Society, Perkin Transactions 1
• Year of publication: 1999
• Journal issue: 23
• Pages of publication: 3499
• a: 9.785 ± 0.001 Å
• b: 27.604 ± 0.003 Å
• c: 10.306 ± 0.001 Å
• α: 90 ± 0.02°
• β: 91.55 ± 0.02°
• γ: 90 ± 0.02°
• Cell volume: 2782.7 ± 0.5 ų
• Cell temperature: 294 K
• Ambient diffraction temperature: 294 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.246
• Residual factor for significantly intense reflections: 0.054
• Weighted residual factors for all reflections: 0.396
• Weighted residual factors for all reflections included in the refinement: 0.061
• Goodness-of-fit parameter for all reflections: 8.999
• Goodness-of-fit parameter for all reflections included in the refinement: 1.083
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: Mo-Kα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No